3-(4-methylsulfanylphenyl)-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylsulfanylphenyl)-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(1-benzyl-2-hydroxy-ethyl)amino]-4-(4-methylsulfanylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-[4-(methylthio)phenyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-(4-methylsulfanylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(1-benzyl-2-hydroxy-ethyl)amino]-4-[4-(methylthio)phenyl]cyclobut-3-ene-1,2-quinone Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=O)C2=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=O)C2=O)NC(CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H19NO3S/c1-25-16-9-7-14(8-10-16)17-18(20(24)19(17)23)21-15(12-22)11-13-5-3-2-4-6-13/h2-10,15,21-22H,11-12H2,1H3